[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine

C14H12FN3OS — CID 107667192

IUPAC[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1csc2c(Oc3ccc(CN)cc3F)ncnc12
InChIInChI=1S/C14H12FN3OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-9(5-16)4-10(11)15/h2-4,6-7H,5,16H2,1H3
InChIKeyTXIRLADZLHENDE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.39
Rot. Bonds3

About [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine

[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 107667192) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID107667192
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1csc2c(Oc3ccc(CN)cc3F)ncnc12
InChIInChI=1S/C14H12FN3OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-9(5-16)4-10(11)15/h2-4,6-7H,5,16H2,1H3
InChIKeyTXIRLADZLHENDE-UHFFFAOYSA-N
XLogP3.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
N-[[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 11684236
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686771
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
CID 102686089
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenol
CID 102687000

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine (CID 107667192) is [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine is Cc1csc2c(Oc3ccc(CN)cc3F)ncnc12.
What is the InChIKey of [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is TXIRLADZLHENDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-8-6-20-13-12(8)17-7-18-14(13)19-11-3-2-9(5-16)4-10(11)15/h2-4,6-7H,5,16H2,1H3.
What are the key properties of [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine?
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 289.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 107667192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).